4-Hexadecynoic acid, 2-ethoxy-, ethyl ester
TL;DR: 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester (CAS 40924-18-3) is a chemical compound with molecular formula C20H36O3 and molecular weight 324.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethoxyhexadec-4-ynoate
Also Known As: ethyl 2-ethoxyhexadec-4-ynoate, Ethyl 2-ethoxy-4-hexadecynoate, 2-Ethoxy-4-hexadecynoicacidethylester, Ethyl 2-ethoxy-4-hexadecynoate #, 2-Ethoxy-4-hexadecynoic acid ethyl ester
| Molecular Formula | C20H36O3 |
|---|---|
| Molecular Weight | 324.27 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 324.26645 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 40924-18-3 |
|---|---|
| SMILES | CCCCCCCCCCCC#CCC(C(=O)OCC)OCC |
| InChIKey | QSANGBHSFHGOOE-UHFFFAOYSA-N |
Product Overview
4-Hexadecynoic acid, 2-ethoxy-, ethyl ester (CAS 40924-18-3), with molecular formula C20H36O3 and molecular weight 324.27 g/mol. IUPAC: ethyl 2-ethoxyhexadec-4-ynoate.
Chemical Property Profile of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester
Property Insights of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester
The XLogP value of 7.2 indicates that 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester?
The CAS number of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester is 40924-18-3.
What is the molecular formula of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester?
The molecular formula of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester is C20H36O3.
What is the molecular weight of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester?
The molecular weight of 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester is 324.27 g/mol.
Where can I buy 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester?
You can request a quote for 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexadecynoic acid, 2-ethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.